(2E,4R,5S,6S)-6-[(2S,7S,8R,9R,12R,14R,15R,19R)-9,12-dihydroxy-2,6,6,15,19-pentamethyl-5,17-dioxo-8-[(E)-2-phenylethenyl]pentacyclo[10.5.2.0²,⁷.0⁹,¹⁸.0¹⁵,¹⁹]nonadeca-1(18),10-dien-14-yl]-5-[(ethylammonio)methyl]-4-hydroxy-2-methylhept-2-enoate
AlkaPlorer ID: AK341097
Synonym: None
IUPAC Name: 6-[9,12-dihydroxy-2,6,6,15,19-pentamethyl-5,17-dioxo-8-(2-phenylethenyl)-14-pentacyclo[10.5.2.02,7.09,18.015,19]nonadeca-1(18),10-dienyl]-5-(ethylaminomethyl)-4-hydroxy-2-methylhept-2-enoic acid
Structure
SMILES: CCNCC(C(O)C=C(C)C(=O)O)C(C)C1CC2(O)C=CC3(O)C4=C(C(=O)CC1(C)C42C)C1(C)CCC(=O)C(C)(C)C1C3C=CC1=CC=CC=C1
InChI: InChI=1S/C43H57NO7/c1-9-44-24-28(31(45)21-25(2)37(48)49)26(3)30-22-42(50)19-20-43(51)29(16-15-27-13-11-10-12-14-27)35-38(4,5)33(47)17-18-39(35,6)34-32(46)23-40(30,7)41(42,8)36(34)43/h10-16,19-21,26,28-31,35,44-45,50-51H,9,17-18,22-24H2,1-8H3,(H,48,49)
InChIKey: BDSJAVPDIVYVBV-UHFFFAOYSA-N
Reference
Acrotrione: An Oxidized Xanthene from the Roots of <i>Acronychia pubescens</i>
Herbicidins from <i>Streptomyces</i> sp. CB01388 Showing Anti-<i>Cryptosporidium</i> Activity
Rotenoids, Flavonoids, and Chalcones from the Root Bark of <i>Millettia usaramensis</i>
Polyoxygenated Cyclohexenes and Other Constituents of <i>Cleistochlamys kirkii</i> Leaves
Antiplasmodial Alkaloids from the Australian Bryozoan <i>Amathia lamourouxi</i>
PubChem CID: 163101626
COCONUT: CNP0422202.2
Source
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Properties Information
Molecule Weight: 699.9290000000003
TPSA？: 144.16
MolLogP？: 5.928700000000005
Number of H-Donors: 5
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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